SCHEMBL6510758

SCHEMBL6510758

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2CC(O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.64
CYP3A4 P08684 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP2C19 P33261 1/20 0.64
AR P10275 1/20 0.64
CHRM1 P11229 1/20 0.64
TBXA2R P21731 1/20 0.64
ADRA1A P35348 1/20 0.64
CYP19A1 P11511 6/20 0.55
TDP1 Q9NUW8 2/20 0.51
NR3C1 P04150 2/20 0.51
LMNA P02545 1/20 0.51
PDE4D Q08499 1/20 0.51
CHRM2 P08172 1/20 0.49
OPRK1 P41145 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SRD5A2 P31213 1/20 0.44
CYP17A1 P05093 3/20 0.39
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6843336 0.86 PGR (0.69) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL6843333 0.86 PGR (0.69) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL8396014 0.84 PGR (0.66) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL19628769 0.84 PGR (0.66) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL11326826 0.84 PGR (0.66) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL10897035 0.83 PGR (0.67) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL23638424 0.83 PGR (0.67) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL19625918 0.83 PGR (0.67) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL19625822 0.83 PGR (0.67) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL7349633 0.82 PGR (0.64) PGRCYP3A4ALDH1A1CYP2C19AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973791-A2 PROCESS FOR PREPARATION OF 7 ALPHA-CARBOXYL 9, 11-EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN AND A GENERAL PROCESS FOR THE EPOXIDATION OF OLIFINIC DOUBLE BONDS G.D. Searle & Co. (US) 2000-01-26 EP claimed
WO-1997021720-A2 PROCESSES FOR PREPARATION OF 7 ALPHA-CARBOXYL 9,11-EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN AND A GENERAL PROCESS FOR THE EPOXIDATION OF OLIFINIC DOUBLE BONDS G.D. SEARLE AND CO. (US) 1997-06-19 WO claimed
US-20050003473-A1 Aspergillus ochraceus 11 alpha hydroxylase and oxidoreductase PHARMACIA CORPORATION 2005-01-06 US disclosed
EP-1352054-A2 ASPERGILLUS OCHRACEUS 11 ALPHA HYDROLASE AND OXIDOREDUCTASE Pharmacia Corporation (US) 2003-10-15 EP disclosed
WO-2002046386-A2 ASPERGILLUS OCHRACEUS 11 ALPHA HYDROXYLASE AND OXIDOREDUCTASE PHARMACIA CORPORATION (US) 2002-06-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050003473-A1 Aspergillus ochraceus 11 alpha hydroxylase and oxidoreductase CYP21A2, CYP11B1, CYP17A1 PGR 2693/4885CYP3A4 86/4885ALDH1A1 167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.